2-Amino-5-chlorophenol - ≥97% , CAS No.28443-50-7

CAS: 28443-50-7 Cat. No.: A169264 Fórmula: C₆H₆ClNO Peso molecular: 143.57 Número EC: 249-020-3

GRADE & PURITY ≥97%

Synonyms

EN300-98784 | 5-chloro-o-aminophenol | 6VK2H53LQN | CCG-302530 | 2-hydroxy-4-chloroaniline | SCHEMBL103329 | FT-0601050 | PS-6280 | W-107043 | 1H-1,3-benzodiazole-4-carboxylic acid | FZCQMIRJCGWWCL-UHFFFAOYSA-N | SCHEMBL1639545 | AC-8704 | STL194297 | 4-c

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

2-Amino-5-chlorophenol can be synthesized from 2-chloro-5-nitrophenol via reduction. It can also be obtained from 1-chloro-4-nitrobenzene by using a bacterial strain LW1. 2-Amino-5-chlorophenol participates in the condensation reaction with acetylferrocene to afford ferrocenyl Schiff bases bearing a phenol group.
2-Amino-5-chlorophenol may be used to synthesize 2-amino-5-chloromuconic semialdehyde and benzoxazole derivatives.

Specifications

Sinónimos

EN300-98784 | 5-chloro-o-aminophenol | 6VK2H53LQN | CCG-302530 | 2-hydroxy-4-chloroaniline | SCHEMBL103329 | FT-0601050 | PS-6280 | W-107043 | 1H-1,3-benzodiazole-4-carboxylic acid | FZCQMIRJCGWWCL-UHFFFAOYSA-N | SCHEMBL1639545 | AC-8704 | STL194297 | 4-c

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488186665

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186665

Sonrisas canónicas

C1=CC(=C(C=C1Cl)O)N

IUPAC Name

2-amino-5-chlorophenol

InChIKey

FZCQMIRJCGWWCL-UHFFFAOYSA-N

INCHI

1S/C6H6ClNO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H,8H2

Isómeros SMILES

C1=CC(=C(C=C1Cl)O)N

WGK Alemania

3

Peso molecular

143.57

Reaxy-Rn

386421

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386421&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Halophenols
        • Level5 Chlorophenols
          • Level6 M-chlorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Chlorophenols
• Direct Parent: M-chlorophenols
• Alternative Parents: o-Aminophenols Aniline and substituted anilines Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Primary amines Organopnictogen compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenol - O-aminophenol - Aniline or substituted anilines - 3-chlorophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Amine - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as m-chlorophenols. These are chlorophenols carrying a iodine at the C3 position of the benzene ring.
• External Descriptors: a chloroaromatic compound - an arylamine

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: air sensitive
• Punto de fusión (°C): 145-153℃
• Peso molecular: 143.570 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 143.014 Da
• Monoisotopic Mass: 143.014 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1